Display Options: Structure:  

Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 4izy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ukhRCSB PDB    PDBbind11aa, >1UKH:B|PDBID|CHAIN|... *
2h96RCSB PDB    PDBbind11aa, >2H96:G|PDBID|CHAIN|... at 100%
2g01RCSB PDB    PDBbind11aa, >2G01:G|PDBID|CHAIN|... at 100%
2gmxRCSB PDB    PDBbind11aa, >2GMX:G|PDBID|CHAIN|... at 100%
2no3RCSB PDB    PDBbind11aa, >2NO3:G|PDBID|CHAIN|... at 100%
3ptgRCSB PDB    PDBbind11aa, >3PTG:J|PDBID|CHAIN|... at 100%
3v3vRCSB PDB    PDBbind11aa, >3V3V:B|PDBID|CHAIN|... at 100%
4hysRCSB PDB    PDBbind11aa, >4HYS:B|PDBID|CHAIN|... at 100%
4hyuRCSB PDB    PDBbind11aa, >4HYU:B|PDBID|CHAIN|... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4izy
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMitogen-activated protein kinase 8 & C-Jun-amino-terminal kinase-interacting protein 1
Ligand Name1J2
EC.Number E.C.
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)IC50=3nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference(2013) Bioorg.Med.Chem.Lett. Vol. 23: pp. 3565-3569
Ligand Properties
Formula C24H31N5O3S
Molecular Weight 469.600
Exact Mass 469.215
No. of atoms 64
No. of bonds 68
Polar Surface Area 108.73
LOGP Value 3.29      (Computed with XLOGP3)
4.37      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): Q9UQF2  P45983  
Entrez Gene IDNCBI Entrez Gene ID: 9479  5599  
ASDInformation of known allosteric effects of PDB entries

This site has been visited times since Nov 2007.

Address: LingLing Road 345, Shanghai, 200032, China      ICP NO: Shanghai-05005485-2
Group Leader: wangrx@mail.sioc.ac.cn      Tel: +86-21-54925128      Webmaster: liuhai@mail.sioc.ac.cn
Copyright ©2007-2019    Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences